N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide

C18H24ClN5O5 — CID 55498242

IUPACN-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CN2CCOCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C18H24ClN5O5/c19-15-2-1-14(11-16(15)24(27)28)20-17(25)12-21-3-5-23(6-4-21)18(26)13-22-7-9-29-10-8-22/h1-2,11H,3-10,12-13H2,(H,20,25)
InChIKeyCCAPRYZWTGZNPW-UHFFFAOYSA-N
MW425.87 g/mol
LogP0.66
Rot. Bonds6

About N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide

N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide (PubChem CID 55498242) has the molecular formula C18H24ClN5O5 and a molecular weight of 425.87 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
PubChem CID55498242
Molecular FormulaC18H24ClN5O5
Molecular Weight425.87 g/mol
Exact Mass425.15
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)CN2CCOCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C18H24ClN5O5/c19-15-2-1-14(11-16(15)24(27)28)20-17(25)12-21-3-5-23(6-4-21)18(26)13-22-7-9-29-10-8-22/h1-2,11H,3-10,12-13H2,(H,20,25)
InChIKeyCCAPRYZWTGZNPW-UHFFFAOYSA-N
XLogP0.66
TPSA108.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
N-(4-chloro-3-nitrophenyl)-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 71857133
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419
N-(4-chloro-3-nitrophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27185867
N-(4-chloro-3-nitrophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 3128753
2-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-N-(4-chloro-3-nitrophenyl)acetamide
CID 124743554
N-(4-chloro-3-nitrophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200427
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N-(4-chloro-3-nitrophenyl)-2-[2-(morpholine-4-carbonyl)phenoxy]acetamide
CID 31815932
N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 30739596
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 55314449
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 43039682

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide (CID 55498242) is N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide?
The InChIKey is CCAPRYZWTGZNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O5/c19-15-2-1-14(11-16(15)24(27)28)20-17(25)12-21-3-5-23(6-4-21)18(26)13-22-7-9-29-10-8-22/h1-2,11H,3-10,12-13H2,(H,20,25).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide?
N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide has a molecular weight of 425.87 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55498242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).